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Methyl chlorosulfate

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Name

Methyl chlorosulfate

EINECS 212-380-7
CAS No. 812-01-1 Density 1.557 g/cm3
PSA 51.75000 LogP 1.19720
Solubility insoluble in water Melting Point -70°C
Formula CH3ClO3S Boiling Point 132.3 °C at 760 mmHg
Molecular Weight 130.552 Flash Point 33.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 812-01-1 (Methyl chlorosulfate) Hazard Symbols N/A
Synonyms

Chlorosulfonicacid, methyl ester (2CI);Methyl chlorosulfate (7CI);Methyl chlorosulfonate(6CI);

Article Data 23

Methyl chlorosulfate Specification

The Methyl chlorosulfate, also known as Methyl chlorosulphate, is an organic compound with the formula CH3ClO3S. Its EINECS registry number is 212-380-7. With the CAS registry number 812-01-1, its IUPAC name is chlorosulfonyloxymethane.

Physical properties of Methyl chlorosulfate: (1)ACD/LogP: 0.69; (2)ACD/LogD (pH 5.5): 0.69; (3)ACD/LogD (pH 7.4): 0.69; (4)ACD/BCF (pH 5.5): 1.96; (5)ACD/BCF (pH 7.4): 1.96; (6)ACD/KOC (pH 5.5): 56.31; (7)ACD/KOC (pH 7.4): 56.31; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.439; (11)Molar Refractivity: 22.05 cm3; (12)Molar Volume: 83.8 cm3; (13)Surface Tension: 41.8 dyne/cm; (14)Density: 1.557 g/cm3; (15)Flash Point: 33.8 °C; (16)Enthalpy of Vaporization: 35.46 kJ/mol; (17)Boiling Point: 132.3 °C at 760 mmHg; (18)Vapour Pressure: 10.9 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COS(=O)(=O)Cl
(2)InChI: InChI=1S/CH3ClO3S/c1-5-6(2,3)4/h1H3
(3)InChIKey: KNVLCWQKYHCADB-UHFFFAOYSA-N

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